4-methyl-1H-pyrrole-3-carbonitrile

Base Information

• Chemical Name: 4-methyl-1H-pyrrole-3-carbonitrile
• CAS No.: 40167-38-2
• Molecular Formula: C6H6N2
• Molecular Weight: 106.127
• European Community (EC) Number: 840-083-8
• DSSTox Substance ID: DTXSID80396559
• Nikkaji Number: J792.991I
• Wikidata: Q82197332
• Mol file: 40167-38-2.mol

Synonyms:4-methyl-1H-pyrrole-3-carbonitrile;40167-38-2;4-Methyl-3-pyrrolecarbonitrile;SCHEMBL1777130;DTXSID80396559;AKOS006357051;AT16242;SB63725;CS-0308054;EN300-106304;Z1203732959

Chemical Property of 4-methyl-1H-pyrrole-3-carbonitrile

Chemical Property:

• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 106.053098200
• Heavy Atom Count: 8
• Complexity: 122

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CNC=C1C#N